(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C12H15N5O — CID 110254294

IUPAC(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C12H15N5O/c1-8-9(7-14-15-8)12(18)17-6-2-3-11(17)10-4-5-13-16-10/h4-5,7,11H,2-3,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyXLCDPZMKTGGKFW-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.42
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110254294) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110254294
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C12H15N5O/c1-8-9(7-14-15-8)12(18)17-6-2-3-11(17)10-4-5-13-16-10/h4-5,7,11H,2-3,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyXLCDPZMKTGGKFW-UHFFFAOYSA-N
XLogP1.42
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 110254294) is (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1[nH]ncc1C(=O)N1CCCC1c1ccn[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XLCDPZMKTGGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-9(7-14-15-8)12(18)17-6-2-3-11(17)10-4-5-13-16-10/h4-5,7,11H,2-3,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 245.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110254294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).